The nature of interactions of benzene with CF3I and CF3CH2I

被引：13
|
作者：
Bujak, Maciej [1 ,2 ,3 ]
Stammler, Hans-Georg [2 ,3 ]
Blomeyer, Sebastian [2 ,3 ]
Mitzel, Norbert W. [2 ,3 ]
机构：
[1] Univ Opole, Fac Chem, Oleska 48, PL-45052 Opole, Poland
[2] Univ Bielefeld, Lehrstuhl Anorgan Chem & Strukturchem, Fak Chem, Univ Str 25, D-33615 Bielefeld, Germany
[3] Univ Bielefeld, CM2, Fak Chem, Univ Str 25, D-33615 Bielefeld, Germany
来源：
CHEMICAL COMMUNICATIONS | 2019年 / 55卷 / 02期
关键词：
CRYSTAL-STRUCTURES; HYDROGEN-BOND; INTERMOLECULAR INTERACTIONS; HALOGEN INTERACTIONS; CLOSE PACKING; BR; STABILIZATION; DISPERSION; COMPLEXES; CHEMISTRY;
D O I：
10.1039/c8cc08980a
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
In situ grown crystals of CF3I and CF3CH2I are dominated by II and FF interactions. Their co-crystals with benzene, (CF3I)(2) C 6H6 and CF3CH2I C 6H6, contain two completely different sets of intermolecular interactions. (CF3I)(2) C 6H6 shows a unique halogen-bond type: above-the-bond C-IC6H6 interactions. CF3CH2I C 6H6 shows above-the-centre C-HC6H6 interactions. These interactions are electrostatically dominated type II halogen bonds between single halogenoalkane molecules and weaker dispersion dominated interactions between the co-crystal components. The observed preferences for benzene for the two binding partners match with calculated molecular electrostatic potentials.
引用
收藏
页码：175 / 178
页数：4
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